N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide

C28H28N4O3 — CID 25291269

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N[C@@H]2CCc3ccccc32)cc2ncn(CCc3ccccc3)c12
InChIInChI=1S/C28H28N4O3/c1-35-17-26(33)30-25-16-21(28(34)31-23-12-11-20-9-5-6-10-22(20)23)15-24-27(25)32(18-29-24)14-13-19-7-3-2-4-8-19/h2-10,15-16,18,23H,11-14,17H2,1H3,(H,30,33)(H,31,34)/t23-/m1/s1
InChIKeyOYBMQJHGRYECOE-HSZRJFAPSA-N
MW468.56 g/mol
LogP4.28
Rot. Bonds8

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide (PubChem CID 25291269) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide
PubChem CID25291269
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N[C@@H]2CCc3ccccc32)cc2ncn(CCc3ccccc3)c12
InChIInChI=1S/C28H28N4O3/c1-35-17-26(33)30-25-16-21(28(34)31-23-12-11-20-9-5-6-10-22(20)23)15-24-27(25)32(18-29-24)14-13-19-7-3-2-4-8-19/h2-10,15-16,18,23H,11-14,17H2,1H3,(H,30,33)(H,31,34)/t23-/m1/s1
InChIKeyOYBMQJHGRYECOE-HSZRJFAPSA-N
XLogP4.28
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide
CID 45243699
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CID 42170866
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 26065485
6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)-N-(2-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
CID 45183711
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
CID 51316375
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42924269
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091744
ethyl 1-[4-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-5-pentan-3-ylpyrazole-3-carboxylate
CID 46082030
2-(2,3-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)quinoxaline-6-carboxamide
CID 146562170

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide (CID 25291269) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide is COCC(=O)Nc1cc(C(=O)N[C@@H]2CCc3ccccc32)cc2ncn(CCc3ccccc3)c12.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide?
The InChIKey is OYBMQJHGRYECOE-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-35-17-26(33)30-25-16-21(28(34)31-23-12-11-20-9-5-6-10-22(20)23)15-24-27(25)32(18-29-24)14-13-19-7-3-2-4-8-19/h2-10,15-16,18,23H,11-14,17H2,1H3,(H,30,33)(H,31,34)/t23-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 25291269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).